Sugi Predict

Sugi Predict / Compounds / SCHEMBL589140

SCHEMBL589140

SCHEMBL589140

N#Cc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.58
▸ ATM Q13315 1/20 0.58
▸ VCAM1 P19320 5/20 0.50
▸ MAPT P10636 4/20 0.47
▸ GRIA1 P42261 2/20 0.47
▸ GRIA2 P42262 2/20 0.47
▸ GRIA3 P42263 2/20 0.47
▸ GRIA4 P48058 2/20 0.47
▸ GRM6 O15303 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ HSPB1 P04792 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SNCA P37840 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL404745 0.85 VCAM1 (0.64) TDP1ATMVCAM1MAPTGRIA1
SCHEMBL27455671 0.83 TDP1 (0.60) TDP1ATMVCAM1MAPTALDH1A1
SCHEMBL4648670 0.81 TDP1 (0.58) TDP1ATMVCAM1MAPTALDH1A1
SCHEMBL16962514 0.81 TDP1 (0.58) TDP1ATMVCAM1MAPTALDH1A1
SCHEMBL4385438 0.79 VCAM1 (0.61) TDP1VCAM1MAPTGRIA1GRIA2
SCHEMBL698847 0.79 VCAM1 (0.66) TDP1VCAM1MAPTGRIA1GRIA2
SCHEMBL10877621 0.79 MAPT (0.53) TDP1VCAM1MAPTGRIA1GRIA2
SCHEMBL589476 0.79 VCAM1 (0.48) TDP1ATMVCAM1MAPTGRIA1
SCHEMBL591089 0.79 MAOA (0.44) TDP1ATMVCAM1MAPTGRIA1
SCHEMBL1335475 0.79 MAPT (0.49) TDP1ATMVCAM1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 255 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136595-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2025-05-01 — — US disclosed
WO-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 — — WO disclosed
EP-4476211-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2024-12-18 — — EP disclosed
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 — — US disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 — — EP disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 — — US disclosed
WO-2023154124-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-08-17 — — WO disclosed
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 — — US disclosed
CN-115746000-A Compounds and methods for modulating bruton's tyrosine kinase 嘉兴和剂药业有限公司 2023-03-07 — — CN disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
US-RE31455-E 2-Chloro-a,a,a-trifluoro-p-tolyl-3-carboxy-4-nitrophenyl ether; agronomical; selective weed control ROHM AND HAAS COMPANY (US) 1983-12-06 — — US disclosed
US-4415354-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES ROHM AND HAAS COMPANY (US) 1983-11-15 — — US disclosed
US-4358308-A PREEMERGENT AND POSTEMERGENT APPLICATION ROHM AND HAAS COMPANY (US) 1982-11-09 — — US disclosed
US-4350522-A Herbicidal 4-trifluoromethyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1982-09-21 — — US disclosed
US-4330324-A PREEMERGENCE APPLICATION ROHM AND HAAS COMPANY (US) 1982-05-18 — — US disclosed
US-4220468-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-09-02 — — US disclosed
US-4185995-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-01-29 — — US disclosed
US-4093446-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1978-06-06 — — US disclosed
US-4063929-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-12-20 — — US disclosed
US-4046798-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-09-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250136595-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, ERBB4 TDP1 4116/4885ATM 579/4885VCAM1 4683/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT TDP1 2963/4885ATM 1782/4885VCAM1 3624/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT TDP1 2963/4885ATM 1782/4885VCAM1 3624/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.